Molecule

ID:71257

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉ClN₂O
Molecular Mass
220.65496
Exact Mass
220.0403406
Charge
0
InChI
InChI=1S/C11H9ClN2O/c12-10-6-11(14-8-13-10)15-7-9-4-2-1-3-5-9/h1-6,8H,7H2
InChIKey
KXDXFVQZZGSEBU-UHFFFAOYSA-N
Canonic Smiles
Clc1ncnc(c1)OCc1ccccc1
Isomeric Smiles
n1c(cc(nc1)Cl)OCc1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.0352101
LogD (pH = 7.4)
3.0352166
Log P
3.0352168
Molar Refractivity
59.9777
Polarizability
22.59239
Polar Surface Area
35.01
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation